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CAS No.: 16854-67-4
Name: 4-Hydroxylthiocoumarin
Article Data: 11
Molecular Structure:
Molecular Structure of 16854-67-4 (4-Hydroxylthiocoumarin)
Formula: C9H6O2S
Molecular Weight: 178.211
Synonyms: 1-Thiocoumarin,4-hydroxy- (6CI,7CI,8CI);4-Hydroxy-1-(2H)-benzothiopyran-2-one;4-Hydroxy-1-thiacoumarin;4-Hydroxy-1-thiocoumarin;4-Hydroxy-2-oxo-2H-1-benzothiopyran;4-Hydroxy-2H-1-benzothiopyran-2-one;4-Hydroxythiocoumarin;
Density: 1.478 g/cm3
Melting Point: 209 °C(Solv: water (7732-18-5))
Boiling Point: 307.4 °C at 760 mmHg
Flash Point: 139.7 °C
PSA: 65.54000
LogP: 1.96710
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    TAIHO Unique Advantages:1.We're factory2.Free samples available3.Commodity inspection can be done4.ISO9001,Kosher certifications5.10 years experiences Storage:Store in cool &dry place Package:aluminium foil bag/fiber can/plastic drum Application:comp

    Hubei Taiho Chemical Co.,Ltd,is a professional new-type chemicals enterprise combined into research and development and sales. We are looking forward to cooperating with our friend

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  • 4-Hydroxylthiocoumarin

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    16854-67-4

    4-Hydroxylthiocoumarin

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    The company have effective management team, professional technical R & D personnel, the service spirit of customer oriented. We have long-term cooperation with famous domestic manufacturer, and excellent customer resources overseas. We are skilled in

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  • 2H-1-Benzothiopyran-2-one,4-hydroxy-

  • Casno:

    16854-67-4

    2H-1-Benzothiopyran-2-one,4-hydroxy-

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    Manufacturer,strong R&D,professional team Storage:Store in a cool, dry place. Store in a tightly closed container. Package:according to your requirement Application:ZhiShang Chemical is owned by ZhiShang Group, is a professional new-type chemicals en

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  • 2-hydroxythiochromen-4-one

  • Casno:

    16854-67-4

    2-hydroxythiochromen-4-one

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    high purity Application:Drug intermediates Materials intermediates and active molecules

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Specification

The 4-Hydroxylthiocoumarin, with CAS registry number 16854-67-4, is also called 2-Hydroxy-4H-thiochromen-4-one. And its IUPAC name is 2-hydroxythiochromen-4-one. And the chemical formula of this chemical is C9H6O2S.

Physical properties of 4-Hydroxylthiocoumarin: (1)ACD/LogP: 1.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.28; (4)ACD/LogD (pH 7.4): -1.49; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 11.3; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 51.6 Å2; (13)Index of Refraction: 1.726; (14)Molar Refractivity: 47.9 cm3; (15)Molar Volume: 120.5 cm3; (16)Polarizability: 18.99×10-24cm3; (17)Surface Tension: 71.9 dyne/cm; (18)Enthalpy of Vaporization: 57.86 kJ/mol; (19)Vapour Pressure: 0.000315 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\1c2c(SC(/O)=C/1)cccc2
(2)InChI: InChI=1/C9H6O2S/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,11H
(3)InChIKey: OSIDMAJZERBPOJ-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C9H6O2S/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,11H
(5)Std. InChIKey: OSIDMAJZERBPOJ-UHFFFAOYSA-N